Journal ArticleDOI
Iron-Nanoparticle-Loaded Nitrogen-Doped Carbon Nanotube/Carbon Sheet Composites Derived from MOF as Electrocatalysts for an Oxygen Reduction Reaction
Maryam Jafari,Hussein Gharibi,Mohammad Javad Parnian,Mokhtar Nasrollahpour,Mohsen Vafaee +4 more
- Vol. 4, Iss: 1, pp 459-477
TLDR
In this paper, highly active, stable, and inexpensive electrocatalysts for the oxygen reduction reaction (ORR) are explored for the purpose of developing high-performance energy conversion devices.Abstract:
Exploring highly active, stable, and inexpensive electrocatalysts for the oxygen reduction reaction (ORR) is pivotal in developing high-performance energy conversion devices. Moreover, the producti...read more
Citations
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Journal ArticleDOI
Metal-Organic Framework-Derived Graphene Mesh: a Robust Scaffold for Highly Exposed Fe-N4 Active Sites toward an Excellent Oxygen Reduction Catalyst in Acid Media.
Jingjing Li,Wei Xia,Jinglong Tang,Yong Gao,Chenggong Jiang,Yining Jia,Tao Chen,Zhufeng Hou,Ruijuan Qi,Dong Jiang,Toru Asahi,Xingtao Xu,Tao Wang,Jianping He,Yusuke Yamauchi +14 more
TL;DR: In this article , a special ultrathin N-doped graphene nanomesh (NGM) was used as a robust scaffold for highly exposed Fe-N4 active sites.
Journal ArticleDOI
Mesoporous textured Fe-N-C electrocatalysts as highly efficient cathodes for proton exchange membrane fuel cells
Srinu Akula,Marek Mooste,Barr Zulevi,Sam McKinney,Arvo Kikas,Helle-Mai Piirsoo,Mihkel Rähn,Aile Tamm,Vambola Kisand,Alexey Serov,Erin B. Creel,David A. Cullen,Kenneth C. Neyerlin,Hao Wang,Madeleine Odgaard,Tatyana V. Reshetenko,Kaido Tammeveski +16 more
TL;DR: In this paper, a new platinum group metal (PGM)-free proton exchange membrane fuel cell (PEMFC) cathode catalyst materials, synthesized using the VariPore™ method by Pajarito Powder, LLC, are characterized for their structure and activity.
Journal ArticleDOI
Mesoporous textured Fe-N-C electrocatalysts as highly efficient cathodes for proton exchange membrane fuel cells
TL;DR: In this article , a new platinum group metal (PGM)-free proton exchange membrane fuel cell (PEMFC) cathode catalyst materials, synthesized using the VariPore™ method by Pajarito Powder, LLC, are characterized for their structure and activity.
Journal ArticleDOI
Engineering dual metal single-atom sites with the nitrogen-coordinated nonprecious catalyst for oxygen reduction reaction (ORR) in acidic electrolyte
TL;DR: An electrocatalyst composed of dual metal single-atom sites attached to nitrogen-doped porous carbon was made in the current study developing a host-guest design as mentioned in this paper, which was successfully synthesized to evaluate their oxygen reduction reaction (ORR reaction activity) in an acidic medium.
Journal ArticleDOI
Engineering dual metal single-atom sites with the nitrogen-coordinated nonprecious catalyst for oxygen reduction reaction (ORR) in acidic electrolyte
TL;DR: In this article , an electrocatalyst composed of dual metal single-atom sites attached to nitrogen-doped porous carbon was made in the current study developing a host-guest design.
References
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Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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TL;DR: QUANTUM ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
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TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.
John P. Perdew,J. A. Chevary,S. H. Vosko,Koblar A. Jackson,Mark R. Pederson,David J. Singh,Carlos Fiolhais +6 more
TL;DR: A way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects as well as significant interconfigurational and interterm errors remain.
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Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,A. Dal Corso,Stefano Fabris,Guido Fratesi,S. de Gironcoli,Ralph Gebauer,U. Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +32 more
TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).